9KZM

Crystal structure of C36S mutant Glutathione peroxidase of Staphylococcus aureus.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	RRCAT INDUS-2 BEAMLINE PX-BL21
Synchrotron site	RRCAT INDUS-2
Beamline	PX-BL21
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2024-12-02
Detector	MAR scanner 345 mm plate
Wavelength(s)	0.97893
Spacegroup name	C 2 2 21
Unit cell lengths	62.795, 95.921, 59.786
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.470 - 1.500
R-factor	0.1503
Rwork	0.149
R-free	0.16680
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.011
RMSD bond angle	1.194
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.960	1.580
High resolution limit [Å]	1.500	1.500
Number of reflections	29292	4198
<I/σ(I)>	25.6
Completeness [%]	100.0
Redundancy	14.2
CC(1/2)	1.000	0.937

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6	300	Sodium citrate tribasic dihydrate